mp-2874/In2Si2O7/harm

Harmonic properties

../../_images/fig_bandos_pr13265.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17640.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13265.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212908.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times22377.png

(a) Computation time